[3H]A-585539   Click here for help

GtoPdb Ligand ID: 3974

 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 29.02
Molecular weight 281.18
XLogP 2.7
No. Lipinski's rules broken 0
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Canonical SMILES C[N+]1(C)CC2CC1CN2c1ccc(nn1)c1ccccc1
Isomeric SMILES C[N+]1(C)CC2CC1CN2c1ccc(nn1)c1ccccc1
InChI InChI=1S/C17H21N4/c1-21(2)12-14-10-15(21)11-20(14)17-9-8-16(18-19-17)13-6-4-3-5-7-13/h3-9,14-15H,10-12H2,1-2H3/q+1
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
nicotinic acetylcholine receptor α7 subunit Hs Agonist Full agonist 10.1 pKd - 1
pKd 10.1 (Kd 7x10-11 M) native α7 [1]